#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i2o s ALA 16 N 0.00 0.00 0.00 1.96 0.00 -1.26 -5.10 121.76 117.36 3i2o s ALA 16 Ca 0.00 -0.80 -0.30 0.00 0.00 0.00 0.00 51.96 50.86 3i2o s ALA 16 Cb 0.00 -1.70 -0.09 0.00 0.00 0.00 0.00 23.12 21.33 3i2o s ALA 16 CO 0.00 -1.80 1.98 0.00 0.00 0.00 0.00 175.76 175.94 3i2o n ALA 17 N 5.01 1.51 0.00 0.00 0.00 -1.26 -1.90 120.51 123.87 3i2o n ALA 17 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.63 3i2o n ALA 17 Cb 0.44 -2.68 0.00 0.00 0.00 0.00 0.00 19.45 17.21 3i2o n ALA 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i2o n GLY 18 N 4.62 1.45 3.72 0.00 0.00 -1.26 -0.89 105.19 112.82 3i2o n GLY 18 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 3i2o n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i2o s ALA 19 N -2.32 3.33 -0.32 4.61 0.00 -0.80 -2.72 121.76 123.54 3i2o s ALA 19 Ca 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 51.96 52.12 3i2o s ALA 19 Cb 0.00 -2.98 0.06 0.00 0.00 0.00 0.00 23.12 20.20 3i2o s ALA 19 CO 0.00 -0.08 0.05 0.08 0.00 0.00 0.00 175.76 175.81 3i2o s VAL 20 N 0.67 3.15 -0.28 0.00 1.01 -0.78 -4.94 120.40 119.22 3i2o s VAL 20 Ca 0.39 -1.48 -0.16 0.00 0.00 0.00 0.00 61.98 60.73 3i2o s VAL 20 Cb -0.18 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 3i2o s VAL 20 CO 0.19 -0.22 0.41 -0.63 0.00 0.00 0.00 175.10 174.85 3i2o s ILE 21 N 1.25 5.15 -0.66 2.22 1.01 -1.26 -1.23 121.20 127.67 3i2o s ILE 21 Ca -0.02 0.59 0.03 0.00 0.00 0.00 0.00 60.65 61.24 3i2o s ILE 21 Cb -0.20 -3.74 0.16 0.00 0.01 0.00 0.00 42.46 38.69 3i2o s ILE 21 CO -0.01 0.11 0.45 -0.76 0.00 0.00 0.00 174.94 174.73 3i2o s LEU 22 N 2.13 4.82 0.16 2.97 1.43 0.89 -5.02 118.68 126.06 3i2o s LEU 22 Ca 0.16 -3.43 -0.31 0.00 -1.03 0.00 0.00 54.13 49.52 3i2o s LEU 22 Cb -0.16 -1.71 -0.09 0.00 0.03 0.00 0.00 46.19 44.27 3i2o s LEU 22 CO 0.10 -0.18 1.43 -0.13 0.23 0.00 0.00 176.35 177.80 3i2o s ARG 23 N -0.88 4.30 -1.37 1.70 0.52 -1.26 -1.45 118.95 120.50 3i2o s ARG 23 Ca 0.22 2.17 0.00 0.00 -0.52 0.00 0.00 55.73 57.60 3i2o s ARG 23 Cb -0.14 -3.20 0.00 0.00 0.52 0.00 0.00 34.95 32.13 3i2o s ARG 23 CO -0.09 -0.45 0.00 0.54 0.02 0.00 0.00 175.30 175.32 3i2o n ARG 24 N 3.55 -1.20 -0.06 3.54 1.74 -1.21 -4.90 116.66 118.12 3i2o n ARG 24 Ca 0.11 0.93 -0.01 0.00 -0.77 0.00 0.00 57.85 58.11 3i2o n ARG 24 Cb 0.41 -5.11 0.27 0.00 -1.02 0.00 0.00 32.46 27.01 3i2o n ARG 24 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3i2o h PHE 25 N 0.00 0.68 -0.48 -1.55 3.57 -1.23 -2.65 116.94 115.28 3i2o h PHE 25 Ca -0.27 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.18 3i2o h PHE 25 Cb 0.99 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.53 3i2o h PHE 25 CO 0.46 0.58 0.00 0.00 -2.23 0.00 0.00 178.31 177.12 3i2o n ALA 26 N -2.47 2.98 -0.11 2.41 0.00 0.27 -4.52 120.51 119.07 3i2o n ALA 26 Ca 0.03 -1.19 -0.06 0.00 0.00 0.00 0.00 53.44 52.22 3i2o n ALA 26 Cb 0.21 -1.03 0.02 0.00 0.00 0.00 0.00 19.45 18.65 3i2o n ALA 26 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3i2o h PHE 27 N 3.07 0.26 -0.08 0.00 3.57 -1.63 -0.29 116.94 121.82 3i2o h PHE 27 Ca 0.00 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.43 3i2o h PHE 27 Cb 1.17 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 3i2o h PHE 27 CO 0.59 0.11 -0.37 -0.91 -2.23 0.00 0.00 178.31 175.51 3i2o h ASN 28 N 0.31 0.18 0.77 0.41 -0.26 -1.83 -3.06 115.58 112.09 3i2o h ASN 28 Ca 0.17 -0.07 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 3i2o h ASN 28 Cb 0.14 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.35 3i2o h ASN 28 CO -0.17 0.54 -0.62 0.00 -1.06 0.00 0.00 177.43 176.12 3i2o n ALA 29 N -2.47 3.05 -0.29 -0.83 0.00 -1.06 -4.56 120.51 114.36 3i2o n ALA 29 Ca -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 53.44 53.15 3i2o n ALA 29 Cb 0.44 -1.16 0.06 0.00 0.00 0.00 0.00 19.45 18.79 3i2o n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i2o h ALA 30 N 2.61 0.27 -0.82 0.00 0.00 -0.95 -0.21 119.26 120.16 3i2o h ALA 30 Ca 0.00 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3i2o h ALA 30 Cb 0.69 0.77 -0.04 0.00 0.00 0.00 0.00 17.79 19.22 3i2o h ALA 30 CO 0.00 -0.54 0.46 0.93 0.00 0.00 0.00 179.25 180.10 3i2o h GLU 31 N -0.05 1.13 -0.11 0.00 5.08 -1.81 -1.24 114.58 117.59 3i2o h GLU 31 Ca 0.34 -0.13 -0.18 0.00 -1.00 0.00 0.00 59.36 58.39 3i2o h GLU 31 Cb 0.59 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 3i2o h GLU 31 CO -0.84 0.83 -0.70 0.37 -1.00 0.00 0.00 179.01 177.67 3i2o h GLN 32 N 1.13 0.48 -0.51 2.33 5.75 -1.69 -2.25 115.11 120.35 3i2o h GLN 32 Ca 0.29 -0.37 -0.07 0.00 -0.15 0.00 0.00 58.65 58.35 3i2o h GLN 32 Cb 0.01 0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 3i2o h GLN 32 CO -0.05 1.00 0.06 -0.07 -2.65 0.00 0.00 178.83 177.12 3i2o h LEU 33 N 0.33 0.78 -0.47 -2.39 3.38 -0.68 -1.07 115.31 115.20 3i2o h LEU 33 Ca -0.03 -0.17 -0.17 0.00 0.09 0.00 0.00 57.88 57.61 3i2o h LEU 33 Cb 1.28 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 3i2o h LEU 33 CO 0.13 0.82 -0.55 0.40 0.09 0.00 0.00 178.44 179.32 3i2o h ILE 34 N 0.78 1.31 -0.48 1.22 2.04 -1.15 -0.46 117.51 120.78 3i2o h ILE 34 Ca 0.16 -1.79 -0.09 0.00 1.00 0.00 0.00 64.86 64.15 3i2o h ILE 34 Cb 0.39 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 3i2o h ILE 34 CO 0.01 0.56 -0.05 0.03 0.00 0.00 0.00 178.15 178.70 3i2o h ARG 35 N 0.47 0.83 0.00 2.37 3.08 -1.07 -2.24 114.38 117.82 3i2o h ARG 35 Ca 0.01 -0.25 -0.11 0.00 0.07 0.00 0.00 59.98 59.70 3i2o h ARG 35 Cb 1.11 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.06 3i2o h ARG 35 CO 0.11 0.87 -0.52 -0.44 -1.07 0.00 0.00 179.97 178.91 3i2o h ASP 36 N 0.76 0.00 -0.37 7.04 3.32 -0.99 -2.24 116.42 123.95 3i2o h ASP 36 Ca 0.14 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.09 3i2o h ASP 36 Cb 0.54 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 3i2o h ASP 36 CO 0.03 0.52 -0.15 0.40 -1.72 0.00 0.00 179.24 178.32 3i2o h ILE 37 N 0.00 1.28 -0.62 0.35 2.04 -0.73 -0.72 117.51 119.10 3i2o h ILE 37 Ca -0.01 -1.26 -0.04 0.00 1.00 0.00 0.00 64.86 64.56 3i2o h ILE 37 Cb 1.17 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 38.54 3i2o h ILE 37 CO 0.07 0.41 0.22 0.78 0.00 0.00 0.00 178.15 179.63 3i2o h ASN 38 N 0.54 0.86 -0.41 1.72 2.35 -1.28 0.86 115.58 120.22 3i2o h ASN 38 Ca 0.09 -0.13 -0.15 0.00 -0.55 0.00 0.00 56.30 55.55 3i2o h ASN 38 Cb 0.68 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 3i2o h ASN 38 CO 0.05 0.79 -0.33 -0.78 -1.65 0.00 0.00 177.43 175.51 3i2o h ASP 39 N 0.91 1.01 -0.39 5.81 -0.00 -1.22 -1.88 116.42 120.66 3i2o h ASP 39 Ca 0.21 -0.43 -0.08 0.00 -0.00 0.00 0.00 57.03 56.73 3i2o h ASP 39 Cb 0.22 -0.28 -0.01 0.00 -0.00 0.00 0.00 39.33 39.26 3i2o h ASP 39 CO -0.01 1.24 -0.06 0.58 -0.00 0.00 0.00 179.24 180.99 3i2o h VAL 40 N 0.79 1.27 0.00 2.25 2.07 -0.77 -2.99 116.25 118.88 3i2o h VAL 40 Ca 0.08 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 3i2o h VAL 40 Cb 0.92 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.90 3i2o h VAL 40 CO 0.09 0.37 -0.03 0.00 0.02 0.00 0.00 177.57 178.01 3i2o h ALA 41 N 0.85 1.05 0.00 1.67 0.00 -0.66 -0.47 119.26 121.71 3i2o h ALA 41 Ca 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3i2o h ALA 41 Cb 0.56 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3i2o h ALA 41 CO 0.03 0.04 -0.12 0.66 0.00 0.00 0.00 179.25 179.86 3i2o h SER 42 N 0.00 0.00 0.00 0.00 4.64 -1.18 -2.91 113.55 114.10 3i2o h SER 42 Ca -0.00 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.87 3i2o h SER 42 Cb 0.32 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.35 3i2o h SER 42 CO 0.00 0.12 -2.53 1.67 -0.87 0.00 0.00 176.83 175.22 3i2o n GLN 43 N -3.17 0.60 -3.97 4.77 7.27 -0.85 -4.80 117.38 117.23 3i2o n GLN 43 Ca 0.02 0.24 -0.31 0.00 0.07 0.00 0.00 57.00 57.03 3i2o n GLN 43 Cb 0.49 -1.50 -0.15 0.00 2.41 0.00 0.00 30.24 31.50 3i2o n GLN 43 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 3i2o s SER 44 N -7.31 4.56 0.76 1.69 0.01 -0.24 -4.98 113.70 108.20 3i2o s SER 44 Ca -0.38 -2.29 -0.14 0.00 1.31 0.00 0.00 55.95 54.44 3i2o s SER 44 Cb 0.14 -1.53 0.06 0.00 0.21 0.00 0.00 66.02 64.89 3i2o s SER 44 CO 0.51 -0.35 1.22 -2.84 0.41 0.00 0.00 173.24 172.19 3i2o s PRO 45 N 0.72 1.90 0.14 12.44 0.02 -1.10 -3.99 135.00 145.13 3i2o s PRO 45 Ca 0.12 1.79 -0.31 0.00 0.02 0.00 0.00 61.00 62.63 3i2o s PRO 45 Cb -0.20 -1.80 -0.08 0.00 0.02 0.00 0.00 34.50 32.44 3i2o s PRO 45 CO -0.08 -2.02 1.33 -0.06 -0.33 0.00 0.00 177.00 175.84 3i2o s PHE 46 N -2.01 3.28 0.04 6.54 0.40 -1.26 -4.69 117.98 120.29 3i2o s PHE 46 Ca 0.75 1.11 0.02 0.00 -0.60 0.00 0.00 56.93 58.20 3i2o s PHE 46 Cb -0.30 -3.61 -0.03 0.00 0.51 0.00 0.00 43.02 39.60 3i2o s PHE 46 CO 0.48 -2.01 -0.06 -0.98 0.70 0.00 0.00 175.22 173.34 3i2o s ARG 47 N 0.63 0.50 -0.59 0.44 3.03 -0.38 -4.87 118.95 117.71 3i2o s ARG 47 Ca 0.61 -0.78 -0.20 0.00 2.03 0.00 0.00 55.73 57.38 3i2o s ARG 47 Cb -0.35 -0.17 0.09 0.00 -1.03 0.00 0.00 34.95 33.48 3i2o s ARG 47 CO 0.33 0.01 0.76 -0.65 -1.13 0.00 0.00 175.30 174.62 3i2o s GLN 48 N -1.82 3.08 0.51 3.89 -0.21 -1.26 -0.47 119.66 123.39 3i2o s GLN 48 Ca -0.09 -1.10 -0.23 0.00 0.02 0.00 0.00 55.36 53.96 3i2o s GLN 48 Cb -0.08 -4.22 -0.06 0.00 1.00 0.00 0.00 33.01 29.65 3i2o s GLN 48 CO -0.01 -1.55 1.33 -1.64 -2.12 0.00 0.00 175.29 171.30 3i2o s MET 49 N 3.04 3.38 -0.27 2.91 -1.94 -1.26 -4.59 119.30 120.56 3i2o s MET 49 Ca 0.15 2.18 -0.13 0.00 -1.71 0.00 0.00 55.69 56.18 3i2o s MET 49 Cb -0.21 -2.37 -0.04 0.00 2.01 0.00 0.00 34.83 34.21 3i2o s MET 49 CO 0.08 -0.98 0.28 0.08 -0.01 0.00 0.00 175.02 174.48 3i2o s VAL 50 N -1.33 5.24 0.59 -6.03 1.01 -1.26 -0.91 120.40 117.71 3i2o s VAL 50 Ca 0.68 0.38 -0.18 0.00 0.00 0.00 0.00 61.98 62.85 3i2o s VAL 50 Cb -0.39 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 3i2o s VAL 50 CO 0.47 0.21 1.16 0.42 0.00 0.00 0.00 175.10 177.35 3i2o s THR 51 N 1.89 2.93 0.65 3.92 -4.23 -0.13 -4.64 115.64 116.04 3i2o s THR 51 Ca 0.11 0.55 0.17 0.00 -1.18 0.00 0.00 61.69 61.34 3i2o s THR 51 Cb -0.16 -3.18 0.18 0.00 1.34 0.00 0.00 72.50 70.69 3i2o s THR 51 CO 0.10 -0.16 1.48 1.55 -0.54 0.00 0.00 174.62 177.06 3i2o h PRO 52 N 0.81 0.00 -0.00 3.99 0.13 -1.84 0.20 132.00 135.28 3i2o h PRO 52 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3i2o h PRO 52 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3i2o h PRO 52 CO 0.55 0.00 -0.15 0.41 -0.23 0.00 0.00 178.00 178.58 3i2o n GLY 53 N -1.39 -1.18 0.02 1.56 0.00 -1.26 -4.93 105.19 98.01 3i2o n GLY 53 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3i2o n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2o n GLY 54 N 1.39 0.99 3.49 -0.02 0.00 0.70 -5.10 105.19 106.63 3i2o n GLY 54 Ca 0.11 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 3i2o n GLY 54 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i2o s TYR 55 N -2.00 2.98 0.02 1.61 1.51 -1.24 -4.89 117.35 115.34 3i2o s TYR 55 Ca 0.00 -0.31 -0.30 0.00 -1.01 0.00 0.00 57.07 55.45 3i2o s TYR 55 Cb 0.00 -1.90 -0.04 0.00 -0.11 0.00 0.00 41.96 39.91 3i2o s TYR 55 CO 0.00 -0.01 1.11 0.99 -1.11 0.00 0.00 175.55 176.53 3i2o s THR 56 N 0.18 4.41 0.47 -0.71 2.01 -1.26 -0.96 115.64 119.79 3i2o s THR 56 Ca -0.03 1.73 -0.22 0.00 0.31 0.00 0.00 61.69 63.48 3i2o s THR 56 Cb -0.14 -4.11 -0.08 0.00 0.01 0.00 0.00 72.50 68.18 3i2o s THR 56 CO 0.03 0.11 1.10 -0.04 -0.69 0.00 0.00 174.62 175.13 3i2o s MET 57 N 1.22 3.75 0.23 4.92 -1.94 -0.09 -4.96 119.30 122.43 3i2o s MET 57 Ca 0.55 1.58 0.12 0.00 -1.71 0.00 0.00 55.69 56.23 3i2o s MET 57 Cb -0.25 -2.25 0.09 0.00 2.01 0.00 0.00 34.83 34.43 3i2o s MET 57 CO 0.27 -0.51 1.45 0.66 -0.01 0.00 0.00 175.02 176.88 3i2o h SER 58 N 1.80 0.00 -3.55 3.03 4.64 -1.91 -3.43 113.55 114.14 3i2o h SER 58 Ca -0.49 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.31 3i2o h SER 58 Cb 1.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 3i2o h SER 58 CO 0.59 0.69 0.37 -0.69 -0.87 0.00 0.00 176.83 176.93 3i2o s VAL 59 N -3.05 4.47 -0.04 0.95 1.01 -1.26 -4.75 120.40 117.74 3i2o s VAL 59 Ca 0.02 2.04 -0.16 0.00 0.00 0.00 0.00 61.98 63.87 3i2o s VAL 59 Cb 0.10 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 3i2o s VAL 59 CO 0.77 0.30 0.43 0.00 0.00 0.00 0.00 175.10 176.60 3i2o s ALA 60 N 0.05 3.63 0.16 5.51 0.00 -0.63 -4.46 121.76 126.02 3i2o s ALA 60 Ca 0.48 -0.21 0.05 0.00 0.00 0.00 0.00 51.96 52.28 3i2o s ALA 60 Cb -0.24 -2.47 -0.05 0.00 0.00 0.00 0.00 23.12 20.37 3i2o s ALA 60 CO 0.30 0.32 -0.10 -1.64 0.00 0.00 0.00 175.76 174.65 3i2o s MET 61 N -0.54 1.11 0.27 0.00 -1.94 0.39 0.32 119.30 118.91 3i2o s MET 61 Ca 0.24 -1.49 -0.21 0.00 -1.71 0.00 0.00 55.69 52.53 3i2o s MET 61 Cb -0.16 -0.67 0.04 0.00 2.01 0.00 0.00 34.83 36.05 3i2o s MET 61 CO 0.12 0.07 0.82 -0.08 -0.01 0.00 0.00 175.02 175.94 3i2o s THR 62 N -3.30 0.00 0.12 2.05 -1.32 -0.65 -1.25 115.64 111.29 3i2o s THR 62 Ca 0.18 -0.89 -0.03 0.00 -1.21 0.00 0.00 61.69 59.74 3i2o s THR 62 Cb 0.02 -2.28 -0.03 0.00 -1.51 0.00 0.00 72.50 68.70 3i2o s THR 62 CO 0.02 0.00 0.09 0.20 -2.21 0.00 0.00 174.62 172.72 3i2o s ASN 63 N -3.00 0.27 0.02 8.08 0.01 -1.26 -0.36 114.94 118.70 3i2o s ASN 63 Ca 0.13 -1.09 -0.07 0.00 -0.71 0.00 0.00 52.86 51.12 3i2o s ASN 63 Cb -0.05 0.31 -0.00 0.00 0.41 0.00 0.00 41.25 41.93 3i2o s ASN 63 CO 0.07 -0.74 0.14 0.00 -1.51 0.00 0.00 177.10 175.06 3i2o n GLY 65 N 1.19 -0.48 0.25 0.00 0.00 0.83 -1.57 105.19 105.41 3i2o n GLY 65 Ca -0.21 -2.25 -0.08 0.00 0.00 0.00 0.00 46.02 43.48 3i2o n GLY 65 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3i2o h HIS 66 N 0.00 0.80 -3.04 1.61 3.86 -1.62 -3.42 115.15 113.34 3i2o h HIS 66 Ca 0.00 -0.20 -0.61 0.00 -1.16 0.00 0.00 60.37 58.40 3i2o h HIS 66 Cb 0.00 -0.18 -0.18 0.00 1.06 0.00 0.00 27.41 28.11 3i2o h HIS 66 CO 0.00 0.91 -0.80 -0.51 0.86 0.00 0.00 177.93 178.39 3i2o s LEU 67 N -8.75 2.46 -0.02 2.43 1.43 -0.35 -4.32 118.68 111.57 3i2o s LEU 67 Ca -0.09 -0.90 -0.01 0.00 -1.03 0.00 0.00 54.13 52.11 3i2o s LEU 67 Cb 0.13 -1.07 0.01 0.00 0.03 0.00 0.00 46.19 45.29 3i2o s LEU 67 CO 0.83 0.06 0.04 -0.83 0.23 0.00 0.00 176.35 176.68 3i2o s GLY 68 N -2.83 0.00 0.05 -3.19 0.00 -0.17 -4.23 107.32 96.95 3i2o s GLY 68 Ca 0.21 0.18 -0.31 0.00 0.00 0.00 0.00 44.72 44.81 3i2o s GLY 68 CO 0.10 0.28 1.29 0.86 0.00 0.00 0.00 173.10 175.62 3i2o s TRP 69 N 0.33 3.26 0.10 1.90 -0.00 -1.26 -1.28 118.94 121.99 3i2o s TRP 69 Ca -0.03 1.11 -0.02 0.00 -0.00 0.00 0.00 56.10 57.16 3i2o s TRP 69 Cb -0.04 -3.54 -0.04 0.00 -0.00 0.00 0.00 33.47 29.86 3i2o s TRP 69 CO -0.01 -1.79 0.05 0.95 -0.00 0.00 0.00 176.95 176.14 3i2o s THR 70 N 1.42 0.15 0.05 5.86 -4.23 -0.18 -4.92 115.64 113.80 3i2o s THR 70 Ca 0.61 -1.80 -0.00 0.00 -1.18 0.00 0.00 61.69 59.32 3i2o s THR 70 Cb -0.31 -1.80 -0.04 0.00 1.34 0.00 0.00 72.50 71.68 3i2o s THR 70 CO 0.28 -0.66 0.19 0.42 -0.54 0.00 0.00 174.62 174.31 3i2o s THR 71 N -3.99 5.29 0.28 3.99 -4.23 -1.26 -1.80 115.64 113.91 3i2o s THR 71 Ca 0.16 -0.40 0.04 0.00 -1.18 0.00 0.00 61.69 60.31 3i2o s THR 71 Cb 0.07 -3.56 -0.03 0.00 1.34 0.00 0.00 72.50 70.32 3i2o s THR 71 CO -0.03 0.17 0.22 -2.28 -0.54 0.00 0.00 174.62 172.15 3i2o s HIS 72 N -1.46 1.51 0.25 3.99 5.04 0.15 -4.90 115.29 119.87 3i2o s HIS 72 Ca 0.33 -1.55 -0.03 0.00 -1.54 0.00 0.00 55.06 52.27 3i2o s HIS 72 Cb -0.13 -0.65 0.30 0.00 0.04 0.00 0.00 32.58 32.14 3i2o s HIS 72 CO 0.26 -0.78 1.75 0.00 -2.34 0.00 0.00 174.74 173.64 3i2o h ARG 73 N 2.34 0.86 -0.18 2.88 3.08 -1.93 -3.00 114.38 118.42 3i2o h ARG 73 Ca -0.30 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.53 3i2o h ARG 73 Cb 1.24 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.19 3i2o h ARG 73 CO 0.43 0.84 0.00 1.04 -1.07 0.00 0.00 179.97 181.21 3i2o n GLN 74 N -4.22 2.04 0.00 0.04 6.02 -1.26 -4.78 117.38 115.23 3i2o n GLN 74 Ca 0.03 -1.55 0.00 0.00 -0.01 0.00 0.00 57.00 55.47 3i2o n GLN 74 Cb 0.29 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.10 3i2o n GLN 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i2o n GLY 75 N 1.28 0.24 3.36 1.08 0.00 -1.13 -5.10 105.19 104.92 3i2o n GLY 75 Ca 0.17 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 3i2o n GLY 75 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i2o s TYR 76 N -3.40 2.36 0.22 1.61 2.02 -1.26 0.34 117.35 119.23 3i2o s TYR 76 Ca 0.00 -0.39 -0.21 0.00 -0.37 0.00 0.00 57.07 56.09 3i2o s TYR 76 Cb 0.00 -1.41 0.04 0.00 -0.40 0.00 0.00 41.96 40.19 3i2o s TYR 76 CO 0.00 0.12 0.64 -0.48 -1.57 0.00 0.00 175.55 174.26 3i2o s LEU 77 N -1.19 -0.33 -0.14 -1.29 0.05 -0.75 -4.95 118.68 110.09 3i2o s LEU 77 Ca 0.12 -0.34 -0.11 0.00 0.05 0.00 0.00 54.13 53.85 3i2o s LEU 77 Cb -0.10 2.57 -0.05 0.00 -2.05 0.00 0.00 46.19 46.57 3i2o s LEU 77 CO 0.02 -1.15 0.22 -0.31 -0.55 0.00 0.00 176.35 174.58 3i2o s TYR 78 N -3.84 3.53 0.01 3.48 1.51 -1.26 -1.01 117.35 119.77 3i2o s TYR 78 Ca 0.07 0.56 0.03 0.00 -1.01 0.00 0.00 57.07 56.71 3i2o s TYR 78 Cb -0.03 -2.16 -0.01 0.00 -0.11 0.00 0.00 41.96 39.65 3i2o s TYR 78 CO -0.03 0.47 -0.08 0.45 -1.11 0.00 0.00 175.55 175.25 3i2o s SER 79 N -0.25 0.94 0.00 2.29 0.15 -0.40 -4.88 113.70 111.55 3i2o s SER 79 Ca 0.15 -0.23 0.29 0.00 0.70 0.00 0.00 55.95 56.86 3i2o s SER 79 Cb -0.13 -0.08 1.39 0.00 -1.71 0.00 0.00 66.02 65.49 3i2o s SER 79 CO 0.04 0.04 1.98 -0.81 1.20 0.00 0.00 173.24 175.69 3i2o n PRO 80 N 2.58 0.27 -5.20 5.44 -0.04 -1.26 -1.00 135.00 135.79 3i2o n PRO 80 Ca -0.15 0.01 -0.32 0.00 -0.04 0.00 0.00 63.50 63.00 3i2o n PRO 80 Cb 0.57 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.37 3i2o n PRO 80 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3i2o s ILE 81 N -2.72 2.27 -0.26 0.52 -1.09 -1.26 -3.60 121.20 115.06 3i2o s ILE 81 Ca 0.23 -1.01 -0.29 0.00 -2.23 0.00 0.00 60.65 57.35 3i2o s ILE 81 Cb 0.19 -1.82 -0.00 0.00 -1.58 0.00 0.00 42.46 39.25 3i2o s ILE 81 CO 0.47 0.58 1.25 -0.62 -1.23 0.00 0.00 174.94 175.39 3i2o s ASP 82 N -0.47 6.80 0.49 3.58 -1.08 0.10 -4.91 116.67 121.19 3i2o s ASP 82 Ca 0.06 1.34 0.33 0.00 -0.52 0.00 0.00 52.55 53.76 3i2o s ASP 82 Cb -0.11 -2.54 1.67 0.00 -1.46 0.00 0.00 42.92 40.47 3i2o s ASP 82 CO 0.01 -0.94 2.01 1.55 0.52 0.00 0.00 175.17 178.32 3i2o h PRO 83 N 8.74 0.00 0.00 4.34 0.13 -1.96 0.27 132.00 143.52 3i2o h PRO 83 Ca -0.25 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.76 3i2o h PRO 83 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 3i2o h PRO 83 CO 1.01 0.00 -0.77 0.37 -0.23 0.00 0.00 178.00 178.38 3i2o h GLN 84 N 0.00 0.00 0.00 0.86 4.15 -1.95 -3.39 115.11 114.78 3i2o h GLN 84 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3i2o h GLN 84 Cb 0.17 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.86 3i2o h GLN 84 CO 0.00 0.70 -0.26 1.79 -1.93 0.00 0.00 178.83 179.13 3i2o h THR 85 N -1.00 0.00 -0.65 2.39 1.35 -1.93 -3.47 112.91 109.60 3i2o h THR 85 Ca -0.18 -0.98 -0.28 0.00 -0.55 0.00 0.00 66.41 64.42 3i2o h THR 85 Cb 0.97 1.85 -0.11 0.00 -1.73 0.00 0.00 68.15 69.13 3i2o h THR 85 CO -0.11 0.00 -0.25 0.59 -0.25 0.00 0.00 175.52 175.50 3i2o n ASN 86 N -2.96 -5.05 -4.67 5.36 4.13 0.96 -4.99 115.26 108.04 3i2o n ASN 86 Ca 0.03 0.34 -0.24 0.00 1.68 0.00 0.00 54.58 56.39 3i2o n ASN 86 Cb 0.53 -3.74 -0.08 0.00 -1.54 0.00 0.00 39.78 34.95 3i2o n ASN 86 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3i2o s LYS 87 N -3.07 2.20 0.87 3.52 1.02 -1.25 -4.83 119.74 118.20 3i2o s LYS 87 Ca 0.00 -1.65 -0.11 0.00 0.02 0.00 0.00 55.97 54.23 3i2o s LYS 87 Cb 0.00 -2.03 0.12 0.00 -0.52 0.00 0.00 37.83 35.39 3i2o s LYS 87 CO 0.00 0.15 1.10 -2.14 -0.92 0.00 0.00 175.35 173.54 3i2o s PRO 88 N -3.75 1.41 0.60 -1.68 0.02 -1.26 -0.72 135.00 129.62 3i2o s PRO 88 Ca 0.35 1.11 -0.16 0.00 0.02 0.00 0.00 61.00 62.33 3i2o s PRO 88 Cb -0.02 -1.80 -0.03 0.00 0.02 0.00 0.00 34.50 32.67 3i2o s PRO 88 CO 0.20 -2.22 1.08 -1.58 -0.33 0.00 0.00 177.00 174.15 3i2o s TRP 89 N -2.82 2.87 0.81 6.54 0.52 -1.24 -4.67 118.94 120.95 3i2o s TRP 89 Ca 0.64 1.53 -0.13 0.00 0.02 0.00 0.00 56.10 58.16 3i2o s TRP 89 Cb -0.19 -3.07 0.08 0.00 -1.15 0.00 0.00 33.47 29.14 3i2o s TRP 89 CO 0.57 -1.28 1.18 -2.14 0.02 0.00 0.00 176.95 175.30 3i2o s PRO 90 N -3.99 1.67 0.72 4.98 0.02 -1.26 -4.65 135.00 132.48 3i2o s PRO 90 Ca 0.65 1.65 -0.14 0.00 0.02 0.00 0.00 61.00 63.18 3i2o s PRO 90 Cb -0.18 -1.79 0.03 0.00 0.02 0.00 0.00 34.50 32.58 3i2o s PRO 90 CO 0.37 -2.17 1.15 0.00 -0.33 0.00 0.00 177.00 176.02 3i2o s ALA 91 N -2.30 2.24 -0.13 -1.55 0.00 -1.26 -0.12 121.76 118.64 3i2o s ALA 91 Ca 0.71 0.65 -0.29 0.00 0.00 0.00 0.00 51.96 53.02 3i2o s ALA 91 Cb -0.26 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 3i2o s ALA 91 CO 0.51 -1.66 1.66 1.41 0.00 0.00 0.00 175.76 177.69 3i2o s MET 92 N -4.14 3.97 0.70 0.00 1.75 -1.26 -4.23 119.30 116.09 3i2o s MET 92 Ca 0.69 1.96 -0.16 0.00 -1.25 0.00 0.00 55.69 56.93 3i2o s MET 92 Cb -0.23 -4.02 0.02 0.00 2.84 0.00 0.00 34.83 33.43 3i2o s MET 92 CO 0.45 -1.09 1.23 -2.14 -0.65 0.00 0.00 175.02 172.82 3i2o s PRO 93 N 4.41 2.28 0.29 4.11 0.02 -1.26 -4.84 135.00 140.01 3i2o s PRO 93 Ca 0.74 1.86 -0.02 0.00 0.02 0.00 0.00 61.00 63.59 3i2o s PRO 93 Cb -0.30 -1.84 0.41 0.00 0.02 0.00 0.00 34.50 32.80 3i2o s PRO 93 CO 0.29 -1.75 1.91 0.37 -0.33 0.00 0.00 177.00 177.50 3i2o h GLN 94 N -0.00 1.02 -0.57 5.54 5.75 -1.99 -1.89 115.11 122.96 3i2o h GLN 94 Ca -0.49 -0.11 -0.04 0.00 -0.15 0.00 0.00 58.65 57.87 3i2o h GLN 94 Cb 1.31 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 29.63 3i2o h GLN 94 CO 0.51 0.74 0.20 0.66 -2.65 0.00 0.00 178.83 178.29 3i2o h SER 95 N 1.03 0.77 -0.00 -0.69 4.64 -1.95 -0.21 113.55 117.14 3i2o h SER 95 Ca 0.26 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3i2o h SER 95 Cb 0.02 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 61.91 3i2o h SER 95 CO -0.04 0.72 -0.00 -0.26 -0.87 0.00 0.00 176.83 176.37 3i2o h PHE 96 N 0.83 0.00 -0.38 4.77 -1.00 -1.80 -1.98 116.94 117.38 3i2o h PHE 96 Ca 0.19 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.97 3i2o h PHE 96 Cb 0.21 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.75 3i2o h PHE 96 CO 0.01 0.37 0.25 1.25 -1.61 0.00 0.00 178.31 178.58 3i2o h HIS 97 N -0.37 0.49 -0.43 -0.55 2.76 -1.08 -1.71 115.15 114.26 3i2o h HIS 97 Ca 0.00 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.15 3i2o h HIS 97 Cb 0.37 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.15 3i2o h HIS 97 CO 0.05 0.32 0.15 -0.91 -1.30 0.00 0.00 177.93 176.24 3i2o h ASN 98 N 0.51 0.61 -0.45 3.26 2.35 -1.06 -1.42 115.58 119.38 3i2o h ASN 98 Ca 0.14 -0.19 -0.10 0.00 -0.55 0.00 0.00 56.30 55.59 3i2o h ASN 98 Cb -0.04 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 3i2o h ASN 98 CO -0.03 0.64 -0.13 0.25 -1.65 0.00 0.00 177.43 176.51 3i2o h LEU 99 N 0.55 0.89 -0.57 1.61 7.12 -1.27 -1.83 115.31 121.82 3i2o h LEU 99 Ca 0.14 -0.37 -0.07 0.00 0.13 0.00 0.00 57.88 57.71 3i2o h LEU 99 Cb 0.23 -0.24 -0.02 0.00 -0.53 0.00 0.00 40.66 40.10 3i2o h LEU 99 CO -0.01 1.06 0.08 0.00 -0.13 0.00 0.00 178.44 179.44 3i2o h GLN 101 N 0.84 0.68 -0.42 0.00 4.15 -1.16 0.31 115.11 119.51 3i2o h GLN 101 Ca 0.17 -0.11 -0.12 0.00 0.77 0.00 0.00 58.65 59.36 3i2o h GLN 101 Cb 0.43 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 3i2o h GLN 101 CO 0.01 0.60 -0.21 0.00 -1.93 0.00 0.00 178.83 177.30 3i2o h ARG 102 N 0.60 0.83 -0.24 1.69 3.08 -1.21 -1.29 114.38 117.85 3i2o h ARG 102 Ca 0.15 -0.34 -0.14 0.00 0.07 0.00 0.00 59.98 59.73 3i2o h ARG 102 Cb 0.17 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 3i2o h ARG 102 CO -0.02 0.97 -0.40 0.00 -1.07 0.00 0.00 179.97 179.45 3i2o h ALA 103 N 1.03 0.37 -0.52 0.04 0.00 -1.01 -2.16 119.26 117.01 3i2o h ALA 103 Ca 0.10 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 3i2o h ALA 103 Cb 0.74 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3i2o h ALA 103 CO 0.06 0.47 -0.04 0.00 0.00 0.00 0.00 179.25 179.74 3i2o h ALA 104 N 0.64 0.70 -0.50 0.00 0.00 -0.88 -2.52 119.26 116.69 3i2o h ALA 104 Ca 0.02 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 3i2o h ALA 104 Cb 1.00 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3i2o h ALA 104 CO 0.09 0.55 0.07 1.15 0.00 0.00 0.00 179.25 181.11 3i2o h THR 105 N 0.80 1.25 0.00 0.00 2.02 -1.24 0.12 112.91 115.87 3i2o h THR 105 Ca 0.14 -0.96 -0.00 0.00 0.77 0.00 0.00 66.41 66.36 3i2o h THR 105 Cb 0.58 0.89 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 3i2o h THR 105 CO 0.03 0.34 -0.02 0.00 0.37 0.00 0.00 175.52 176.25 3i2o h ALA 106 N 0.97 1.03 -0.02 6.16 0.00 -1.31 -2.24 119.26 123.84 3i2o h ALA 106 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3i2o h ALA 106 Cb 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3i2o h ALA 106 CO 0.01 0.02 -0.06 0.00 0.00 0.00 0.00 179.25 179.22 3i2o n ALA 107 N -2.11 2.65 -0.39 0.00 0.00 -0.89 -4.95 120.51 114.82 3i2o n ALA 107 Ca -0.01 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.85 3i2o n ALA 107 Cb 0.22 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3i2o n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i2o n GLY 108 N 1.30 0.79 2.38 0.00 0.00 -0.84 -5.00 105.19 103.81 3i2o n GLY 108 Ca 0.15 -0.41 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 3i2o n GLY 108 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i2o n TYR 109 N -2.36 2.05 0.60 1.61 4.02 0.38 -4.95 117.16 118.51 3i2o n TYR 109 Ca 0.00 -3.93 0.12 0.00 -0.01 0.00 0.00 57.90 54.08 3i2o n TYR 109 Cb 0.01 -0.45 0.46 0.00 -0.02 0.00 0.00 39.34 39.33 3i2o n TYR 109 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3i2o n PRO 110 N 1.22 0.15 0.00 -0.72 -0.04 -1.26 -3.17 135.00 131.19 3i2o n PRO 110 Ca 0.26 0.25 0.12 0.00 -0.04 0.00 0.00 63.50 64.10 3i2o n PRO 110 Cb 0.45 -1.73 0.26 0.00 -0.04 0.00 0.00 33.50 32.44 3i2o n PRO 110 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3i2o n ASP 111 N -2.00 1.59 -4.65 3.54 10.43 -1.26 -4.93 116.55 119.27 3i2o n ASP 111 Ca 0.04 -1.28 -0.42 0.00 2.57 0.00 0.00 54.79 55.70 3i2o n ASP 111 Cb 0.31 0.21 -0.03 0.00 1.84 0.00 0.00 41.12 43.45 3i2o n ASP 111 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 3i2o s PHE 112 N -2.37 1.73 -0.40 1.24 5.36 -1.19 -4.97 117.98 117.37 3i2o s PHE 112 Ca 0.25 0.08 0.02 0.00 -0.96 0.00 0.00 56.93 56.32 3i2o s PHE 112 Cb 0.19 -4.02 0.12 0.00 -0.34 0.00 0.00 43.02 38.97 3i2o s PHE 112 CO 0.49 -4.24 0.18 -0.65 -1.46 0.00 0.00 175.22 169.54 3i2o s GLN 113 N 4.43 1.28 0.37 10.12 -0.21 -1.26 -4.90 119.66 129.48 3i2o s GLN 113 Ca 0.79 -1.85 -0.26 0.00 0.02 0.00 0.00 55.36 54.07 3i2o s GLN 113 Cb -0.35 -2.53 -0.09 0.00 1.00 0.00 0.00 33.01 31.04 3i2o s GLN 113 CO 0.33 -1.08 1.13 -1.25 -2.12 0.00 0.00 175.29 172.31 3i2o s PRO 114 N 0.66 4.24 0.00 2.91 0.04 -1.26 -4.77 135.00 136.81 3i2o s PRO 114 Ca 0.15 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.97 3i2o s PRO 114 Cb -0.22 -2.80 0.01 0.00 0.04 0.00 0.00 34.50 31.53 3i2o s PRO 114 CO -0.07 -0.14 0.83 -0.40 0.04 0.00 0.00 177.00 177.25 3i2o n ASP 115 N 0.36 1.66 -3.76 6.66 5.68 -0.69 -4.98 116.55 121.48 3i2o n ASP 115 Ca 0.03 -1.64 -0.13 0.00 -0.50 0.00 0.00 54.79 52.55 3i2o n ASP 115 Cb 0.46 -0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.33 3i2o n ASP 115 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i2o s ALA 116 N -0.64 -0.82 -0.18 2.12 0.00 -1.03 -1.21 121.76 120.00 3i2o s ALA 116 Ca 0.01 0.94 -0.05 0.00 0.00 0.00 0.00 51.96 52.85 3i2o s ALA 116 Cb 0.00 -0.54 0.06 0.00 0.00 0.00 0.00 23.12 22.64 3i2o s ALA 116 CO 0.01 -0.16 0.09 0.00 0.00 0.00 0.00 175.76 175.70 3i2o s LEU 118 N 2.12 4.22 -0.28 0.00 2.96 -0.66 -1.88 118.68 125.16 3i2o s LEU 118 Ca 0.02 1.08 -0.06 0.00 -0.22 0.00 0.00 54.13 54.95 3i2o s LEU 118 Cb -0.16 -3.07 0.00 0.00 0.50 0.00 0.00 46.19 43.46 3i2o s LEU 118 CO -0.11 -0.25 0.05 -0.63 -1.32 0.00 0.00 176.35 174.10 3i2o s ILE 119 N 1.53 3.86 -0.13 6.68 1.01 0.52 -1.13 121.20 133.53 3i2o s ILE 119 Ca 0.35 -0.64 -0.05 0.00 0.00 0.00 0.00 60.65 60.31 3i2o s ILE 119 Cb -0.17 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 3i2o s ILE 119 CO 0.14 0.16 0.06 0.20 0.00 0.00 0.00 174.94 175.50 3i2o s ASN 120 N 1.50 5.70 -0.15 3.58 0.02 0.50 -1.64 114.94 124.44 3i2o s ASN 120 Ca 0.03 0.21 0.02 0.00 -1.02 0.00 0.00 52.86 52.10 3i2o s ASN 120 Cb -0.17 -1.82 0.01 0.00 0.02 0.00 0.00 41.25 39.30 3i2o s ASN 120 CO 0.01 0.32 -0.20 -0.60 0.02 0.00 0.00 177.10 176.65 3i2o s ARG 121 N -0.48 3.07 -0.30 -0.60 3.52 0.15 -1.03 118.95 123.27 3i2o s ARG 121 Ca 0.10 -0.83 -0.06 0.00 -0.13 0.00 0.00 55.73 54.81 3i2o s ARG 121 Cb -0.12 -2.50 0.01 0.00 -1.56 0.00 0.00 34.95 30.79 3i2o s ARG 121 CO 0.02 -0.02 0.07 0.71 -0.81 0.00 0.00 175.30 175.27 3i2o s TYR 122 N 0.86 3.16 0.60 5.12 1.51 0.62 -1.61 117.35 127.61 3i2o s TYR 122 Ca -0.06 -1.09 -0.07 0.00 -1.01 0.00 0.00 57.07 54.85 3i2o s TYR 122 Cb -0.15 -2.24 0.01 0.00 -0.11 0.00 0.00 41.96 39.46 3i2o s TYR 122 CO -0.02 -0.61 0.93 0.00 -1.11 0.00 0.00 175.55 174.73 3i2o s ALA 123 N 1.47 3.25 0.16 3.71 0.00 -1.26 -1.91 121.76 127.18 3i2o s ALA 123 Ca 0.02 -0.64 -0.33 0.00 0.00 0.00 0.00 51.96 51.02 3i2o s ALA 123 Cb -0.17 -2.67 -0.12 0.00 0.00 0.00 0.00 23.12 20.16 3i2o s ALA 123 CO 0.02 -0.84 1.71 -2.30 0.00 0.00 0.00 175.76 174.36 3i2o n PRO 124 N -2.64 2.56 0.00 0.00 -0.02 -1.26 -1.29 135.00 132.36 3i2o n PRO 124 Ca 0.05 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 3i2o n PRO 124 Cb 0.57 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 3i2o n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i2o n GLY 125 N 3.88 1.86 3.77 -1.23 0.00 0.18 -4.91 105.19 108.74 3i2o n GLY 125 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3i2o n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i2o s ALA 126 N -2.33 3.51 0.17 4.61 0.00 -0.41 -4.28 121.76 123.04 3i2o s ALA 126 Ca 0.00 1.31 -0.01 0.00 0.00 0.00 0.00 51.96 53.26 3i2o s ALA 126 Cb 0.00 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 3i2o s ALA 126 CO 0.00 -0.71 0.09 -1.59 0.00 0.00 0.00 175.76 173.55 3i2o s LYS 127 N -1.80 1.09 -0.15 0.00 -2.85 -1.26 -1.53 119.74 113.24 3i2o s LYS 127 Ca 0.50 -1.55 -0.04 0.00 -1.00 0.00 0.00 55.97 53.87 3i2o s LYS 127 Cb -0.41 0.18 0.06 0.00 -2.06 0.00 0.00 37.83 35.60 3i2o s LYS 127 CO 0.54 -0.31 0.12 -1.17 0.10 0.00 0.00 175.35 174.63 3i2o s LEU 128 N -3.13 0.18 0.82 2.77 2.96 -0.49 -4.21 118.68 117.59 3i2o s LEU 128 Ca 0.32 -0.35 -0.11 0.00 -0.22 0.00 0.00 54.13 53.77 3i2o s LEU 128 Cb 0.07 -0.05 0.08 0.00 0.50 0.00 0.00 46.19 46.80 3i2o s LEU 128 CO 0.07 -0.32 1.09 -0.94 -1.32 0.00 0.00 176.35 174.93 3i2o s SER 129 N 2.20 4.17 -0.10 3.68 1.04 -1.26 -0.36 113.70 123.06 3i2o s SER 129 Ca 0.04 1.53 -0.37 0.00 0.48 0.00 0.00 55.95 57.63 3i2o s SER 129 Cb -0.15 -2.25 -0.15 0.00 0.10 0.00 0.00 66.02 63.57 3i2o s SER 129 CO -0.08 -2.21 1.67 0.18 0.98 0.00 0.00 173.24 173.78 3i2o n LEU 130 N -3.61 2.58 -3.86 2.42 4.77 -1.25 -4.59 117.00 113.46 3i2o n LEU 130 Ca 0.08 1.06 -0.09 0.00 -0.03 0.00 0.00 56.01 57.02 3i2o n LEU 130 Cb 0.55 -1.24 -0.04 0.00 -2.33 0.00 0.00 43.42 40.35 3i2o n LEU 130 CO 0.55 -0.45 0.23 -1.38 -1.33 0.00 0.00 177.39 175.01 3i2o s HIS 131 N 2.72 0.08 0.08 -1.77 -3.43 -0.14 -4.88 115.29 107.95 3i2o s HIS 131 Ca 0.92 -0.45 0.08 0.00 -0.80 0.00 0.00 55.06 54.81 3i2o s HIS 131 Cb -0.90 0.31 -0.04 0.00 -1.43 0.00 0.00 32.58 30.52 3i2o s HIS 131 CO 0.55 -0.95 -0.17 -0.65 -2.00 0.00 0.00 174.74 171.51 3i2o s GLN 132 N -3.93 1.97 -0.57 -0.38 -0.21 -1.26 -0.48 119.66 114.79 3i2o s GLN 132 Ca 0.14 -1.06 -0.18 0.00 0.02 0.00 0.00 55.36 54.29 3i2o s GLN 132 Cb -0.01 -2.17 0.11 0.00 1.00 0.00 0.00 33.01 31.94 3i2o s GLN 132 CO 0.02 0.51 0.63 -0.51 -2.12 0.00 0.00 175.29 173.82 3i2o s ASP 133 N -1.78 6.19 -0.09 5.90 1.11 -1.26 -4.87 116.67 121.86 3i2o s ASP 133 Ca 0.16 -1.58 0.14 0.00 0.18 0.00 0.00 52.55 51.45 3i2o s ASP 133 Cb -0.11 -2.27 0.30 0.00 1.07 0.00 0.00 42.92 41.91 3i2o s ASP 133 CO 0.08 -1.02 1.14 2.29 1.18 0.00 0.00 175.17 178.84 3i2o n LYS 134 N 5.90 0.76 0.00 8.23 2.85 -1.26 -4.78 118.16 129.87 3i2o n LYS 134 Ca -0.11 -2.29 0.12 0.00 -1.05 0.00 0.00 58.31 54.98 3i2o n LYS 134 Cb 0.41 -0.94 0.16 0.00 -0.65 0.00 0.00 35.03 34.02 3i2o n LYS 134 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3i2o n ASP 135 N -0.55 1.19 -4.77 -5.58 10.43 -1.26 -4.92 116.55 111.09 3i2o n ASP 135 Ca 0.11 -0.95 -0.39 0.00 2.57 0.00 0.00 54.79 56.12 3i2o n ASP 135 Cb 0.79 0.41 -0.06 0.00 1.84 0.00 0.00 41.12 44.10 3i2o n ASP 135 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 3i2o s GLU 136 N -2.68 4.60 0.31 -1.24 8.01 -1.26 -4.87 118.70 121.56 3i2o s GLU 136 Ca 0.17 1.19 -0.00 0.00 0.01 0.00 0.00 54.97 56.34 3i2o s GLU 136 Cb 0.18 -3.27 0.49 0.00 -4.31 0.00 0.00 34.13 27.22 3i2o s GLU 136 CO 0.63 0.55 1.91 -1.00 0.01 0.00 0.00 175.26 177.37 3i2o h PRO 137 N 4.37 0.87 -4.75 0.39 0.13 -1.79 -3.39 132.00 127.83 3i2o h PRO 137 Ca -0.47 -0.11 -0.66 0.00 -0.87 0.00 0.00 66.00 63.89 3i2o h PRO 137 Cb 1.21 -0.16 -0.38 0.00 0.13 0.00 0.00 31.00 31.79 3i2o h PRO 137 CO 0.66 0.68 -0.77 0.34 -0.23 0.00 0.00 178.00 178.68 3i2o s ASP 138 N -6.50 4.55 0.00 1.44 3.68 -1.26 -4.97 116.67 113.60 3i2o s ASP 138 Ca -0.10 -1.71 0.21 0.00 2.13 0.00 0.00 52.55 53.08 3i2o s ASP 138 Cb 0.17 -1.55 1.18 0.00 -1.45 0.00 0.00 42.92 41.26 3i2o s ASP 138 CO 0.79 -0.27 1.64 0.18 0.13 0.00 0.00 175.17 177.63 3i2o n LEU 139 N 4.37 0.00 0.14 -1.34 4.77 -1.26 -2.11 117.00 121.57 3i2o n LEU 139 Ca -0.06 0.10 0.06 0.00 -0.03 0.00 0.00 56.01 56.08 3i2o n LEU 139 Cb 0.42 -0.10 0.04 0.00 -2.33 0.00 0.00 43.42 41.45 3i2o n LEU 139 CO 0.21 -0.03 0.35 0.03 -1.33 0.00 0.00 177.39 176.62 3i2o h ARG 140 N 0.00 0.00 -6.50 3.23 3.08 -1.95 -3.45 114.38 108.79 3i2o h ARG 140 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 3i2o h ARG 140 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3i2o h ARG 140 CO 0.00 0.22 0.45 0.00 -1.07 0.00 0.00 179.97 179.57 3i2o s ALA 141 N -3.10 3.29 0.92 0.04 0.00 -0.90 -4.71 121.76 117.30 3i2o s ALA 141 Ca 0.03 0.70 -0.13 0.00 0.00 0.00 0.00 51.96 52.55 3i2o s ALA 141 Cb 0.07 -3.37 0.15 0.00 0.00 0.00 0.00 23.12 19.97 3i2o s ALA 141 CO 0.74 -0.26 1.16 -1.25 0.00 0.00 0.00 175.76 176.15 3i2o s PRO 142 N 0.62 1.03 -0.12 0.00 0.04 -1.26 -4.96 135.00 130.35 3i2o s PRO 142 Ca 0.53 0.19 0.03 0.00 0.04 0.00 0.00 61.00 61.79 3i2o s PRO 142 Cb -0.26 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.46 3i2o s PRO 142 CO 0.30 -2.25 -0.21 0.42 0.04 0.00 0.00 177.00 175.30 3i2o s ILE 143 N -3.34 1.89 -0.33 0.56 1.01 -1.01 -4.56 121.20 115.41 3i2o s ILE 143 Ca 0.65 -0.89 -0.12 0.00 0.00 0.00 0.00 60.65 60.28 3i2o s ILE 143 Cb -0.13 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 40.65 3i2o s ILE 143 CO 0.53 0.52 0.23 -0.69 0.00 0.00 0.00 174.94 175.53 3i2o s VAL 144 N 0.68 5.28 -0.20 2.92 1.01 -0.95 -0.64 120.40 128.51 3i2o s VAL 144 Ca -0.11 -0.13 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 3i2o s VAL 144 Cb -0.16 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 3i2o s VAL 144 CO 0.02 0.05 0.09 -0.55 0.00 0.00 0.00 175.10 174.71 3i2o s SER 145 N 1.73 5.70 -0.17 3.32 0.15 0.48 -0.49 113.70 124.43 3i2o s SER 145 Ca 0.06 0.07 0.01 0.00 0.70 0.00 0.00 55.95 56.79 3i2o s SER 145 Cb -0.17 -1.99 0.02 0.00 -1.71 0.00 0.00 66.02 62.17 3i2o s SER 145 CO 0.11 0.13 -0.16 -0.69 1.20 0.00 0.00 173.24 173.83 3i2o s VAL 146 N 0.62 1.75 -0.14 4.45 1.01 0.66 -0.99 120.40 127.76 3i2o s VAL 146 Ca 0.04 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.15 3i2o s VAL 146 Cb -0.13 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 3i2o s VAL 146 CO 0.01 0.44 0.14 -0.44 0.00 0.00 0.00 175.10 175.26 3i2o s SER 147 N 1.41 6.35 0.00 3.32 0.01 -0.02 -0.76 113.70 124.01 3i2o s SER 147 Ca 0.04 0.42 0.01 0.00 1.31 0.00 0.00 55.95 57.73 3i2o s SER 147 Cb -0.13 -2.08 -0.01 0.00 0.21 0.00 0.00 66.02 64.01 3i2o s SER 147 CO -0.11 0.34 -0.03 -0.76 0.41 0.00 0.00 173.24 173.09 3i2o s LEU 148 N -0.65 2.04 0.00 2.44 1.43 0.15 -0.45 118.68 123.64 3i2o s LEU 148 Ca 0.13 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 3i2o s LEU 148 Cb -0.12 -0.13 0.00 0.00 0.03 0.00 0.00 46.19 45.97 3i2o s LEU 148 CO 0.03 -0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.21 3i2o n GLY 149 N 2.80 0.59 3.77 -3.19 0.00 -1.26 -0.34 105.19 107.56 3i2o n GLY 149 Ca -0.14 -1.13 -0.40 0.00 0.00 0.00 0.00 46.02 44.35 3i2o n GLY 149 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i2o s LEU 150 N 0.00 4.20 0.46 0.99 1.43 -0.79 -3.69 118.68 121.28 3i2o s LEU 150 Ca 0.00 2.94 -0.22 0.00 -1.03 0.00 0.00 54.13 55.82 3i2o s LEU 150 Cb 0.00 -3.84 -0.08 0.00 0.03 0.00 0.00 46.19 42.30 3i2o s LEU 150 CO 0.00 -1.04 1.11 -2.16 0.23 0.00 0.00 176.35 174.49 3i2o s PRO 151 N -2.30 3.81 0.04 1.29 0.04 -1.26 -4.65 135.00 131.97 3i2o s PRO 151 Ca 0.58 1.63 0.01 0.00 0.04 0.00 0.00 61.00 63.26 3i2o s PRO 151 Cb -0.44 -2.34 -0.03 0.00 0.04 0.00 0.00 34.50 31.73 3i2o s PRO 151 CO 0.58 -0.47 -0.06 0.00 0.04 0.00 0.00 177.00 177.09 3i2o s ALA 152 N -1.67 0.51 -0.41 8.56 0.00 -0.63 -4.59 121.76 123.54 3i2o s ALA 152 Ca 0.64 -0.81 -0.19 0.00 0.00 0.00 0.00 51.96 51.59 3i2o s ALA 152 Cb -0.24 0.09 0.02 0.00 0.00 0.00 0.00 23.12 22.98 3i2o s ALA 152 CO 0.30 -0.09 0.55 0.42 0.00 0.00 0.00 175.76 176.93 3i2o s ILE 153 N -1.78 4.95 -0.12 0.00 1.01 -1.26 -0.81 121.20 123.19 3i2o s ILE 153 Ca -0.08 0.04 -0.22 0.00 0.00 0.00 0.00 60.65 60.39 3i2o s ILE 153 Cb -0.07 -4.09 -0.03 0.00 0.01 0.00 0.00 42.46 38.27 3i2o s ILE 153 CO -0.01 -0.44 0.64 0.12 0.00 0.00 0.00 174.94 175.25 3i2o s PHE 154 N 2.51 3.49 -0.06 3.97 5.36 0.63 -1.66 117.98 132.22 3i2o s PHE 154 Ca 0.18 1.08 0.04 0.00 -0.96 0.00 0.00 56.93 57.28 3i2o s PHE 154 Cb -0.15 -2.77 -0.02 0.00 -0.34 0.00 0.00 43.02 39.74 3i2o s PHE 154 CO 0.16 -0.00 -0.19 1.14 -1.46 0.00 0.00 175.22 174.87 3i2o s GLN 155 N 1.21 2.59 0.02 10.12 -2.07 -0.46 -0.39 119.66 130.67 3i2o s GLN 155 Ca 0.33 -0.78 -0.03 0.00 -1.82 0.00 0.00 55.36 53.06 3i2o s GLN 155 Cb -0.17 -2.31 -0.02 0.00 -1.09 0.00 0.00 33.01 29.43 3i2o s GLN 155 CO 0.14 0.49 0.02 -0.59 -1.32 0.00 0.00 175.29 174.03 3i2o s PHE 156 N -0.41 0.24 0.00 9.60 -0.12 -0.38 -1.11 117.98 125.80 3i2o s PHE 156 Ca 0.04 -0.52 0.00 0.00 -0.05 0.00 0.00 56.93 56.40 3i2o s PHE 156 Cb -0.12 -0.18 0.00 0.00 -0.63 0.00 0.00 43.02 42.09 3i2o s PHE 156 CO 0.02 -0.27 0.00 0.41 -0.05 0.00 0.00 175.22 175.33 3i2o n GLY 157 N 1.23 2.01 0.00 1.99 0.00 -0.42 -0.36 105.19 109.64 3i2o n GLY 157 Ca -0.22 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3i2o n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2o n GLY 158 N 4.55 5.38 0.21 -0.02 0.00 -1.26 -4.69 105.19 109.36 3i2o n GLY 158 Ca 0.00 -1.32 0.08 0.00 0.00 0.00 0.00 46.02 44.77 3i2o n GLY 158 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 3i2o h LEU 159 N 0.00 0.00 -8.92 0.99 -0.00 -1.94 -1.92 115.31 103.52 3i2o h LEU 159 Ca 0.00 0.00 -0.61 0.00 -0.00 0.00 0.00 57.88 57.27 3i2o h LEU 159 Cb 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 40.66 40.47 3i2o h LEU 159 CO 0.00 0.30 -0.82 -1.59 -0.00 0.00 0.00 178.44 176.33 3i2o s LYS 160 N -3.70 1.39 0.39 0.17 -2.85 -1.26 -4.89 119.74 108.99 3i2o s LYS 160 Ca -0.00 -1.43 0.14 0.00 -1.00 0.00 0.00 55.97 53.68 3i2o s LYS 160 Cb 0.11 -1.65 0.98 0.00 -2.06 0.00 0.00 37.83 35.21 3i2o s LYS 160 CO 0.66 0.36 1.85 0.00 0.10 0.00 0.00 175.35 178.32 3i2o h ARG 161 N 3.41 0.50 -0.23 1.78 2.47 -2.02 -2.85 114.38 117.44 3i2o h ARG 161 Ca -0.46 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.23 3i2o h ARG 161 Cb 1.20 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.41 3i2o h ARG 161 CO 0.47 0.33 0.00 0.09 0.56 0.00 0.00 179.97 181.42 3i2o n ASN 162 N -4.56 1.04 -4.77 7.04 3.02 -1.26 -4.91 115.26 110.86 3i2o n ASN 162 Ca 0.20 -2.02 -0.38 0.00 -0.03 0.00 0.00 54.58 52.35 3i2o n ASN 162 Cb 0.64 -0.15 -0.06 0.00 -0.61 0.00 0.00 39.78 39.60 3i2o n ASN 162 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3i2o s ASP 163 N -0.94 7.45 0.25 6.41 -0.00 -1.08 -5.00 116.67 123.76 3i2o s ASP 163 Ca 0.12 1.92 -0.31 0.00 -0.00 0.00 0.00 52.55 54.28 3i2o s ASP 163 Cb 0.06 -2.60 -0.12 0.00 -0.00 0.00 0.00 42.92 40.26 3i2o s ASP 163 CO 0.08 0.01 1.56 -0.81 -0.00 0.00 0.00 175.17 176.01 3i2o n PRO 164 N 0.98 2.47 -2.80 8.23 -0.04 -1.26 -4.65 135.00 137.93 3i2o n PRO 164 Ca 0.00 0.88 -0.41 0.00 -0.04 0.00 0.00 63.50 63.93 3i2o n PRO 164 Cb 0.48 -2.64 -0.04 0.00 -0.04 0.00 0.00 33.50 31.26 3i2o n PRO 164 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i2o s LEU 165 N 0.08 4.47 -0.01 1.53 1.02 -1.26 -4.47 118.68 120.04 3i2o s LEU 165 Ca 0.68 1.69 0.06 0.00 0.02 0.00 0.00 54.13 56.58 3i2o s LEU 165 Cb -0.56 -3.49 -0.03 0.00 0.02 0.00 0.00 46.19 42.14 3i2o s LEU 165 CO 0.45 -0.06 -0.21 -0.54 0.02 0.00 0.00 176.35 176.02 3i2o s LYS 166 N 0.07 2.20 0.08 1.70 1.02 0.51 -4.96 119.74 120.37 3i2o s LYS 166 Ca 0.45 -0.88 0.02 0.00 0.02 0.00 0.00 55.97 55.59 3i2o s LYS 166 Cb -0.22 -2.17 -0.04 0.00 -0.52 0.00 0.00 37.83 34.87 3i2o s LYS 166 CO 0.28 0.57 0.11 1.03 -0.92 0.00 0.00 175.35 176.43 3i2o s ARG 167 N -0.86 3.02 -0.19 1.68 0.52 -1.26 -1.25 118.95 120.61 3i2o s ARG 167 Ca 0.11 -0.64 -0.06 0.00 -0.52 0.00 0.00 55.73 54.62 3i2o s ARG 167 Cb -0.10 -2.80 0.09 0.00 0.52 0.00 0.00 34.95 32.66 3i2o s ARG 167 CO 0.01 0.57 0.38 -1.17 0.02 0.00 0.00 175.30 175.11 3i2o s LEU 168 N -2.47 -0.57 0.03 2.53 2.96 0.47 -4.99 118.68 116.64 3i2o s LEU 168 Ca 0.31 0.81 -0.30 0.00 -0.22 0.00 0.00 54.13 54.73 3i2o s LEU 168 Cb -0.12 1.18 -0.04 0.00 0.50 0.00 0.00 46.19 47.71 3i2o s LEU 168 CO 0.24 -0.24 1.01 -0.22 -1.32 0.00 0.00 176.35 175.81 3i2o s LEU 169 N 2.56 4.39 -0.23 -0.68 2.96 -1.26 -0.27 118.68 126.15 3i2o s LEU 169 Ca 0.01 1.73 -0.02 0.00 -0.22 0.00 0.00 54.13 55.62 3i2o s LEU 169 Cb -0.12 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 43.00 3i2o s LEU 169 CO -0.12 -0.26 -0.07 -0.76 -1.32 0.00 0.00 176.35 173.82 3i2o s LEU 170 N 0.85 2.94 0.52 -0.68 1.43 0.01 -4.93 118.68 118.82 3i2o s LEU 170 Ca 0.52 -0.64 0.06 0.00 -1.03 0.00 0.00 54.13 53.04 3i2o s LEU 170 Cb -0.23 -1.68 0.03 0.00 0.03 0.00 0.00 46.19 44.34 3i2o s LEU 170 CO 0.29 -0.07 0.38 -1.61 0.23 0.00 0.00 176.35 175.57 3i2o s GLU 171 N 1.39 2.28 -0.08 1.70 2.02 -1.26 -1.60 118.70 123.15 3i2o s GLU 171 Ca 0.03 -1.97 -0.35 0.00 0.02 0.00 0.00 54.97 52.70 3i2o s GLU 171 Cb -0.15 -2.11 -0.13 0.00 0.10 0.00 0.00 34.13 31.84 3i2o s GLU 171 CO -0.05 -0.54 1.80 1.58 0.02 0.00 0.00 175.26 178.07 3i2o n HIS 172 N -1.70 2.25 -0.08 1.61 -0.00 -1.24 -1.43 115.22 114.63 3i2o n HIS 172 Ca -0.01 0.14 0.00 0.00 -0.00 0.00 0.00 57.72 57.84 3i2o n HIS 172 Cb 0.64 -2.61 0.00 0.00 -0.00 0.00 0.00 29.99 28.03 3i2o n HIS 172 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3i2o n GLY 173 N 4.17 1.37 3.71 1.57 0.00 0.41 -4.54 105.19 111.88 3i2o n GLY 173 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3i2o n GLY 173 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i2o s ASP 174 N -2.99 6.73 -0.09 1.61 -0.00 -0.51 -0.57 116.67 120.85 3i2o s ASP 174 Ca 0.00 2.42 0.04 0.00 -0.00 0.00 0.00 52.55 55.01 3i2o s ASP 174 Cb 0.00 -2.59 -0.00 0.00 -0.00 0.00 0.00 42.92 40.33 3i2o s ASP 174 CO 0.00 -0.73 -0.23 -0.69 -0.00 0.00 0.00 175.17 173.52 3i2o s VAL 175 N 1.29 1.94 -0.06 -1.27 1.01 -0.53 -0.84 120.40 121.95 3i2o s VAL 175 Ca 0.67 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.72 3i2o s VAL 175 Cb -0.39 -1.68 0.01 0.00 0.00 0.00 0.00 36.38 34.32 3i2o s VAL 175 CO 0.30 0.54 -0.13 -0.69 0.00 0.00 0.00 175.10 175.12 3i2o s VAL 176 N 0.28 1.19 -0.46 2.92 1.01 -0.16 -0.08 120.40 125.11 3i2o s VAL 176 Ca -0.16 -0.53 -0.12 0.00 0.00 0.00 0.00 61.98 61.17 3i2o s VAL 176 Cb -0.17 -1.07 0.09 0.00 0.00 0.00 0.00 36.38 35.23 3i2o s VAL 176 CO 0.07 0.36 0.35 -0.69 0.00 0.00 0.00 175.10 175.19 3i2o s VAL 177 N 0.50 4.68 -0.92 2.92 1.01 -0.37 -0.39 120.40 127.84 3i2o s VAL 177 Ca -0.12 -1.35 -0.23 0.00 0.00 0.00 0.00 61.98 60.28 3i2o s VAL 177 Cb -0.14 -3.88 0.06 0.00 0.00 0.00 0.00 36.38 32.41 3i2o s VAL 177 CO 0.03 -0.61 1.31 0.26 0.00 0.00 0.00 175.10 176.10 3i2o s TRP 178 N 1.51 2.62 0.40 5.22 0.52 0.19 -1.86 118.94 127.54 3i2o s TRP 178 Ca 0.04 -0.78 0.01 0.00 0.02 0.00 0.00 56.10 55.38 3i2o s TRP 178 Cb -0.25 -4.57 0.01 0.00 -1.15 0.00 0.00 33.47 27.51 3i2o s TRP 178 CO 0.03 -1.85 0.07 0.41 0.02 0.00 0.00 176.95 175.63 3i2o n GLY 179 N 6.20 3.51 7.00 0.98 0.00 -1.10 -2.41 105.19 119.38 3i2o n GLY 179 Ca 0.23 -2.32 0.00 0.00 0.00 0.00 0.00 46.02 43.92 3i2o n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2o n GLY 180 N 0.19 3.22 0.20 -0.02 0.00 -1.26 -2.39 105.19 105.13 3i2o n GLY 180 Ca -0.13 -0.10 -0.04 0.00 0.00 0.00 0.00 46.02 45.74 3i2o n GLY 180 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3i2o h GLU 181 N 0.00 0.33 0.00 1.61 4.81 -1.86 -3.11 114.58 116.37 3i2o h GLU 181 Ca 0.00 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 3i2o h GLU 181 Cb 0.00 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 3i2o h GLU 181 CO 0.00 0.73 -0.03 0.66 -0.73 0.00 0.00 179.01 179.64 3i2o h SER 182 N 0.27 0.00 0.35 1.04 4.64 -0.65 -2.01 113.55 117.19 3i2o h SER 182 Ca 0.02 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.27 3i2o h SER 182 Cb 0.92 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 3i2o h SER 182 CO 0.08 0.03 -0.31 -0.09 -0.87 0.00 0.00 176.83 175.66 3i2o h ARG 183 N 0.00 0.00 -0.02 4.77 9.65 -1.45 -2.96 114.38 124.37 3i2o h ARG 183 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3i2o h ARG 183 Cb 0.18 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.76 3i2o h ARG 183 CO 0.00 0.31 -0.21 1.28 2.80 0.00 0.00 179.97 184.16 3i2o n LEU 184 N -4.08 2.31 -4.76 3.80 7.99 -0.76 -4.67 117.00 116.83 3i2o n LEU 184 Ca -0.02 -0.80 -0.38 0.00 -0.01 0.00 0.00 56.01 54.80 3i2o n LEU 184 Cb 0.36 -0.01 0.01 0.00 -0.11 0.00 0.00 43.42 43.67 3i2o n LEU 184 CO 0.37 0.40 0.91 -0.36 -1.51 0.00 0.00 177.39 177.21 3i2o s PHE 185 N -2.23 2.69 0.08 -1.77 2.99 -1.12 -4.62 117.98 114.00 3i2o s PHE 185 Ca 0.25 1.46 -0.30 0.00 0.00 0.00 0.00 56.93 58.33 3i2o s PHE 185 Cb 0.19 -3.58 -0.06 0.00 0.00 0.00 0.00 43.02 39.58 3i2o s PHE 185 CO 0.43 -2.06 1.14 0.71 -0.00 0.00 0.00 175.22 175.43 3i2o s TYR 186 N -1.40 3.51 0.18 0.36 2.02 -0.72 -4.63 117.35 116.67 3i2o s TYR 186 Ca 0.64 1.44 -0.06 0.00 -0.37 0.00 0.00 57.07 58.72 3i2o s TYR 186 Cb -0.34 -3.33 -0.02 0.00 -0.40 0.00 0.00 41.96 37.86 3i2o s TYR 186 CO 0.42 -0.89 0.24 -3.38 -1.57 0.00 0.00 175.55 170.37 3i2o s HIS 187 N 0.73 0.67 0.07 2.71 -3.43 0.37 -1.30 115.29 115.11 3i2o s HIS 187 Ca 0.55 -1.00 -0.17 0.00 -0.80 0.00 0.00 55.06 53.65 3i2o s HIS 187 Cb -0.28 -0.22 0.06 0.00 -1.43 0.00 0.00 32.58 30.71 3i2o s HIS 187 CO 0.30 -0.71 0.77 0.41 -2.00 0.00 0.00 174.74 173.51 3i2o n GLY 188 N -0.24 0.62 3.04 -1.38 0.00 -0.26 -0.96 105.19 106.00 3i2o n GLY 188 Ca -0.04 -1.04 -0.25 0.00 0.00 0.00 0.00 46.02 44.70 3i2o n GLY 188 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i2o s ILE 189 N -2.15 1.22 0.63 -0.61 -1.09 0.51 -1.36 121.20 118.35 3i2o s ILE 189 Ca 0.18 -0.52 -0.13 0.00 -2.23 0.00 0.00 60.65 57.94 3i2o s ILE 189 Cb -0.01 -1.11 -0.02 0.00 -1.58 0.00 0.00 42.46 39.73 3i2o s ILE 189 CO 0.02 0.38 1.05 -1.10 -1.23 0.00 0.00 174.94 174.05 3i2o s GLN 190 N 0.69 3.23 -0.17 2.79 -0.21 -0.66 -1.40 119.66 123.92 3i2o s GLN 190 Ca -0.14 1.04 -0.40 0.00 0.02 0.00 0.00 55.36 55.88 3i2o s GLN 190 Cb -0.16 -2.03 -0.16 0.00 1.00 0.00 0.00 33.01 31.66 3i2o s GLN 190 CO 0.04 -0.87 1.58 -2.30 -2.12 0.00 0.00 175.29 171.62 3i2o n PRO 191 N -2.52 1.02 -1.87 2.91 -0.02 -1.26 -4.65 135.00 128.61 3i2o n PRO 191 Ca 0.08 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 3i2o n PRO 191 Cb 0.53 -2.02 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 3i2o n PRO 191 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3i2o s LEU 192 N 2.42 4.37 0.35 2.45 2.96 -0.58 -4.77 118.68 125.89 3i2o s LEU 192 Ca 0.94 2.48 -0.27 0.00 -0.22 0.00 0.00 54.13 57.06 3i2o s LEU 192 Cb -1.08 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 41.98 3i2o s LEU 192 CO 0.61 -0.95 1.20 -0.54 -1.32 0.00 0.00 176.35 175.35 3i2o s LYS 193 N 3.55 4.29 0.43 1.98 1.02 -1.26 0.49 119.74 130.24 3i2o s LYS 193 Ca 0.78 1.96 -0.24 0.00 0.02 0.00 0.00 55.97 58.49 3i2o s LYS 193 Cb -0.39 -2.93 -0.08 0.00 -0.52 0.00 0.00 37.83 33.92 3i2o s LYS 193 CO 0.34 -0.16 1.20 0.00 -0.92 0.00 0.00 175.35 175.82 3i2o s ALA 194 N -1.26 3.08 0.00 5.17 0.00 -1.26 -4.82 121.76 122.67 3i2o s ALA 194 Ca 0.51 1.02 0.00 0.00 0.00 0.00 0.00 51.96 53.49 3i2o s ALA 194 Cb -0.34 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.37 3i2o s ALA 194 CO 0.44 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.93 3i2o n GLY 195 N 0.57 -1.12 3.17 0.00 0.00 -1.26 -5.15 105.19 101.41 3i2o n GLY 195 Ca 0.06 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 45.01 3i2o n GLY 195 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i2o s PHE 196 N -3.00 1.47 -0.03 1.61 5.36 -1.26 -4.57 117.98 117.56 3i2o s PHE 196 Ca 0.00 -0.32 -0.01 0.00 -0.96 0.00 0.00 56.93 55.64 3i2o s PHE 196 Cb 0.00 -0.90 0.03 0.00 -0.34 0.00 0.00 43.02 41.81 3i2o s PHE 196 CO 0.00 0.02 0.05 -1.58 -1.46 0.00 0.00 175.22 172.26 3i2o s HIS 197 N -0.63 0.01 0.60 10.12 5.65 -0.94 -4.95 115.29 125.16 3i2o s HIS 197 Ca 0.05 0.21 0.30 0.00 0.25 0.00 0.00 55.06 55.87 3i2o s HIS 197 Cb -0.07 -0.28 1.71 0.00 -1.18 0.00 0.00 32.58 32.75 3i2o s HIS 197 CO 0.01 -0.13 2.09 -1.00 -0.65 0.00 0.00 174.74 175.06 3i2o h PRO 198 N 7.59 0.00 0.00 2.88 0.13 -1.99 0.97 132.00 141.58 3i2o h PRO 198 Ca -0.37 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.51 3i2o h PRO 198 Cb 1.12 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.20 3i2o h PRO 198 CO 0.39 0.00 -2.14 1.28 -0.23 0.00 0.00 178.00 177.30 3i2o n LEU 199 N -3.64 0.15 -0.08 1.56 4.77 -1.26 -4.55 117.00 113.94 3i2o n LEU 199 Ca 0.01 0.07 0.02 0.00 -0.03 0.00 0.00 56.01 56.08 3i2o n LEU 199 Cb 0.34 0.31 -0.01 0.00 -2.33 0.00 0.00 43.42 41.73 3i2o n LEU 199 CO 0.25 0.33 0.12 0.35 -1.33 0.00 0.00 177.39 177.11 3i2o n THR 200 N -2.66 0.00 0.00 -5.08 -2.24 -1.17 -5.06 114.28 98.07 3i2o n THR 200 Ca -0.22 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 3i2o n THR 200 Cb 0.97 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 70.24 3i2o n THR 200 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3i2o n ILE 201 N -0.59 0.00 -1.66 2.28 2.08 0.33 -3.48 119.36 118.31 3i2o n ILE 201 Ca 0.02 0.00 0.02 0.00 0.56 0.00 0.00 62.75 63.35 3i2o n ILE 201 Cb 0.10 0.00 0.03 0.00 -0.75 0.00 0.00 39.64 39.02 3i2o n ILE 201 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 3i2o n ASP 202 N 2.71 0.53 -3.80 4.38 3.85 -1.26 -2.22 116.55 120.74 3i2o n ASP 202 Ca 0.00 -2.12 -0.18 0.00 -0.71 0.00 0.00 54.79 51.79 3i2o n ASP 202 Cb 0.00 -0.22 -0.09 0.00 -1.35 0.00 0.00 41.12 39.46 3i2o n ASP 202 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3i2o s ARG 204 N -3.75 1.72 0.05 0.00 3.52 -0.80 -1.88 118.95 117.81 3i2o s ARG 204 Ca 0.38 -0.71 0.07 0.00 -0.13 0.00 0.00 55.73 55.34 3i2o s ARG 204 Cb 0.04 -1.61 -0.03 0.00 -1.56 0.00 0.00 34.95 31.79 3i2o s ARG 204 CO 0.20 0.39 -0.16 0.71 -0.81 0.00 0.00 175.30 175.64 3i2o s TYR 205 N -0.35 2.62 -0.04 5.12 1.51 0.53 -0.28 117.35 126.47 3i2o s TYR 205 Ca 0.05 -0.22 -0.00 0.00 -1.01 0.00 0.00 57.07 55.89 3i2o s TYR 205 Cb -0.09 -1.46 0.03 0.00 -0.11 0.00 0.00 41.96 40.33 3i2o s TYR 205 CO 0.00 0.31 0.01 1.21 -1.11 0.00 0.00 175.55 175.97 3i2o s ASN 206 N -1.62 0.66 -0.17 2.29 3.84 -0.20 -0.68 114.94 119.07 3i2o s ASN 206 Ca 0.16 -0.02 -0.05 0.00 0.21 0.00 0.00 52.86 53.16 3i2o s ASN 206 Cb -0.11 -0.24 -0.03 0.00 -0.55 0.00 0.00 41.25 40.33 3i2o s ASN 206 CO 0.07 -0.13 -0.00 -0.76 -2.79 0.00 0.00 177.10 173.48 3i2o s LEU 207 N 1.29 3.41 -0.25 3.21 1.43 0.06 -0.37 118.68 127.47 3i2o s LEU 207 Ca -0.06 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 3i2o s LEU 207 Cb -0.13 -1.84 0.06 0.00 0.03 0.00 0.00 46.19 44.31 3i2o s LEU 207 CO -0.02 0.16 -0.07 0.42 0.23 0.00 0.00 176.35 177.07 3i2o s THR 208 N 0.43 1.72 -0.10 5.49 -4.23 -0.28 -0.25 115.64 118.42 3i2o s THR 208 Ca -0.02 -1.37 -0.25 0.00 -1.18 0.00 0.00 61.69 58.88 3i2o s THR 208 Cb -0.14 -1.95 -0.03 0.00 1.34 0.00 0.00 72.50 71.72 3i2o s THR 208 CO 0.02 -0.10 0.78 -0.36 -0.54 0.00 0.00 174.62 174.42 3i2o s PHE 209 N 1.30 3.52 0.10 3.99 0.40 0.35 -1.66 117.98 125.98 3i2o s PHE 209 Ca -0.06 1.29 0.05 0.00 -0.60 0.00 0.00 56.93 57.60 3i2o s PHE 209 Cb -0.19 -2.92 -0.04 0.00 0.51 0.00 0.00 43.02 40.38 3i2o s PHE 209 CO -0.06 -0.06 -0.12 1.03 0.70 0.00 0.00 175.22 176.70 3i2o s ARG 210 N 1.40 0.91 -0.57 0.44 3.00 0.13 -2.23 118.95 122.04 3i2o s ARG 210 Ca 0.39 -1.15 -0.13 0.00 0.00 0.00 0.00 55.73 54.84 3i2o s ARG 210 Cb -0.18 -0.74 0.14 0.00 0.00 0.00 0.00 34.95 34.18 3i2o s ARG 210 CO 0.17 0.14 0.49 -1.14 0.00 0.00 0.00 175.30 174.96 3i2o s GLN 211 N -2.52 2.92 -0.10 3.54 0.74 -1.26 -1.70 119.66 121.29 3i2o s GLN 211 Ca 0.05 -1.87 0.18 0.00 0.05 0.00 0.00 55.36 53.77 3i2o s GLN 211 Cb -0.05 -4.19 -0.27 0.00 1.10 0.00 0.00 33.01 29.60 3i2o s GLN 211 CO 0.02 -1.28 0.26 0.00 -0.55 0.00 0.00 175.29 173.73 3i2o n ALA 212 N 4.90 2.18 1.28 1.58 0.00 -1.26 -4.52 120.51 124.67 3i2o n ALA 212 Ca -0.07 -0.81 0.10 0.00 0.00 0.00 0.00 53.44 52.66 3i2o n ALA 212 Cb 0.41 -0.42 0.61 0.00 0.00 0.00 0.00 19.45 20.05 3i2o n ALA 212 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91